SCHEMBL5791809

SCHEMBL5791809

CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CCC2NC(=O)CNc2n[nH]c3ccc(C(F)(F)F)cc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.67
CYP2D6 P10635 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5792638 1.00 CCR2 (0.67) CCR2CYP2D6
SCHEMBL2989040 1.00 CCR2 (0.67) CCR2CYP2D6
SCHEMBL5791811 1.00 CCR2 (0.67) CCR2CYP2D6
SCHEMBL5820974 0.94 CCR2 (0.65) CCR2
SCHEMBL2983406 0.94 CCR2 (0.65) CCR2
SCHEMBL5820971 0.94 CCR2 (0.65) CCR2
SCHEMBL5792431 0.86 CCR2 (0.67) CCR2CYP2D6
SCHEMBL2986736 0.86 CCR2 (0.67) CCR2CYP2D6
SCHEMBL5792433 0.86 CCR2 (0.67) CCR2CYP2D6
SCHEMBL5033582 0.83 CCR2 (0.62) CCR2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483241-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2006-12-13 EP disclosed
EP-1483241-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2004-12-08 EP disclosed
WO-2003075853-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-18 WO disclosed